7-[[3-(methylsulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)quinazoline-6-carboxylic acid

Systemtic Name: 7-[[3-(methylsulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)quinazoline-6-carboxylic acid Openeye Name: 4-(isopropylamino)-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]quinazoline-6-carboxylic acid CAS Name: 7-[[3-(methylsulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)-6-quinazolinecarboxylic acid IUPAC Name: 7-[[3-(methylsulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)quinazoline-6-carboxylic acid Traditional Name: 4-(isopropylamino)-7-[3-(methylsulfonimidoyl)benzyl]oxy-quinazoline-6-carboxylic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC2=CC(=C(C=C21)C(=O)O)OCC3=CC(=CC=C3)S(=N)(=O)C

Isomeric SMILES

CC(C)NC1=NC=NC2=CC(=C(C=C21)C(=O)O)OCC3=CC(=CC=C3)S(=N)(=O)C

InChI

InChI=1S/C20H22N4O4S/c1-12(2)24-19-15-8-16(20(25)26)18(9-17(15)22-11-23-19)28-10-13-5-4-6-14(7-13)29(3,21)27/h4-9,11-12,21H,10H2,1-3H3,(H,25,26)(H,22,23,24)